Cas no 544704-08-7 (4,6-Dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid)
544704-08-7 structure
Product Name:4,6-Dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CAS No:544704-08-7
MF:C8H7F3N2O2
MW:220.148592233658
CID:1084022
PubChem ID:53404083
Update Time:2025-04-20
4,6-Dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4,6-Dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
- 4,6-Dimethyl-2-(trifluoromethyl)-5-pyrimidinecarboxylic acid
- 4,6-Dimethyl-2-pyrimidinyl thiocyanate
- 4,6-dimethyl-2-thiocyanato-pyrimidine
- 4,6-dimethyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid
- AC1MIEP7
- AG-F-92211
- BRN 0879822
- CTK5A2968
- LS-152675
- Thiocyanic acid, 4,6-dimethyl-2-pyrimidinyl ester
- DB-357713
- 544704-08-7
- SCHEMBL3277493
-
- MDL： MFCD11847376
- Inchi： 1S/C8H7F3N2O2/c1-3-5(6(14)15)4(2)13-7(12-3)8(9,10)11/h1-2H3,(H,14,15)
- InChI Key： VYPLQBIHGYKXRS-UHFFFAOYSA-N
- SMILES： FC(C1=NC(C)=C(C(=O)O)C(C)=N1)(F)F
Computed Properties
- Exact Mass: 220.04596196g/mol
- Monoisotopic Mass: 220.04596196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 245
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 63.1?2
4,6-Dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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